tert-butyl 3-[3-(undec-2-ynylsulfanylmethyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[3-(undec-2-ynylsulfanylmethyl)phenyl]propanoate Openeye Name: tert-butyl 3-[3-(undec-2-ynylsulfanylmethyl)phenyl]propanoate CAS Name: 3-[3-[(undec-2-ynylthio)methyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(undec-2-ynylsulfanylmethyl)phenyl]propanoate Traditional Name: 3-[3-[(undec-2-ynylthio)methyl]phenyl]propionic acid tert-butyl ester Formula: C25H38O2S MolecularWeight: 402.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCSCC1=CC=CC(=C1)CCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCC#CCSCC1=CC=CC(=C1)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C25H38O2S/c1-5-6-7-8-9-10-11-12-13-19-28-21-23-16-14-15-22(20-23)17-18-24(26)27-25(2,3)4/h14-16,20H,5-11,17-19,21H2,1-4H3